SCHEMBL6614919

SCHEMBL6614919

CCOc1c(Br)c(-c2ccc(C(N)=O)cc2)nn1CCOc1ccc(-c2cccs2)cc1Cl

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.38
CHEK2 O96017 1/20 0.38
ALDH1A1 P00352 3/20 0.37
KDM4E B2RXH2 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
RAB9A P51151 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
FYN P06241 1/20 0.36
PDE5A O76074 1/20 0.35
MAPT P10636 2/20 0.35
GCGR P47871 1/20 0.35
GIPR P48546 1/20 0.35
KCNA5 P22460 1/20 0.35
HDAC1 Q13547 6/20 0.34
HDAC2 Q92769 3/20 0.34
TNFRSF1A P19438 3/20 0.34
KCNH2 Q12809 1/20 0.34
PPARG P37231 1/20 0.34
LMNA P02545 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6607130 0.93 TNFRSF1A (0.39) ALDH1A1KDM4EMEN1KMT2ARAB9A
SCHEMBL6804198 0.91 MAPT (0.40) ALDH1A1KDM4EMEN1KMT2ARAB9A
SCHEMBL6602793 0.90 CHEK1 (0.38) CHEK1CHEK2ALDH1A1KDM4EMEN1
SCHEMBL6602115 0.88 TNFRSF1A (0.35) ALDH1A1KDM4EMAPTGCGRGIPR
SCHEMBL6613906 0.86 CHEK2 (0.38) CHEK1CHEK2ALDH1A1MAPTGCGR
SCHEMBL6604701 0.83 TNFRSF1A (0.39) ALDH1A1KDM4EMEN1KMT2ARAB9A
SCHEMBL6607115 0.82 ACLY (0.39) ALDH1A1KDM4EMEN1KMT2ARAB9A
SCHEMBL6602350 0.81 GCGR (0.36) ALDH1A1MEN1KMT2ARAB9AMAPT
SCHEMBL6602442 0.79 ALDH1A1 (0.36) ALDH1A1KDM4EMEN1KMT2ARAB9A
SCHEMBL6801015 0.79 SMPD3 (0.38) ALDH1A1KDM4EMEN1KMT2ARAB9A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 60 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040180891-A1 Pyrazole derivatives useful in the treatment of hyper-proliferative disorders BAYER PHARMACEUTICALS CORPORATION 2004-09-16 US disclosed
EP-1432689-A1 PYRAZOLE DERIVATIVES USEFUL IN THE TREATMENT OF HYPER-PROLIFERATIVE DISORDERS Bayer Corporation (US) 2004-06-30 EP disclosed
EP-1427725-A1 PYRAZOLYL-SUBSTITUTED THIENYLOXYPYRIDINES BASF AKTIENGESELLSCHAFT (DE) 2004-06-16 EP disclosed
WO-2004007467-A1 NOVEL 3-(3-[AMINOSULFONYLAMINO]-4-CYANO-PHENYL)-6-TRIFLUOROMETHYL-URACILS BASF AKTIENGESELLSCHAFT (DE) 2004-01-22 WO disclosed
EP-1315733-A2 METHOD FOR PRODUCING ANELLATED TETRAHYDRO-[1H]-TRIAZOLES BASF AKTIENGESELLSCHAFT (DE) 2003-06-04 EP disclosed
WO-2003029243-A2 2-ARYLOXY-6-PYRAZOLYL-PYRIDINES BASF AKTIENGESELLSCHAFT (DE) 2003-04-10 WO disclosed
WO-2003027074-A1 PYRAZOLE DERIVATIVES USEFUL IN THE TREATMENT OF HYPER-PROLIFERATIVE DISORDERS BAYER PHARMACEUTICALS CORPORATION (US) 2003-04-03 WO disclosed
WO-2003022843-A1 PYRAZOLYL-SUBSTITUTED THIENYLOXYPYRIDINES BASF AKTIENGESELLSCHAFT (DE) 2003-03-20 WO disclosed
EP-1286991-A2 CYCLOPROPYL-ANELLATED 3-(4,5-DIHYDROISOXAZOL-3-YL)-SUBSTITUED BENZOYLPYRAZOLES BASF AKTIENGESELLSCHAFT (DE) 2003-03-05 EP disclosed
EP-1284969-A1 3-(4,5-DIHYDROISOXAZOLE-5-YL)BENZOYLCYCLOHEXENONES AND THE USE THEREOF AS HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 2003-02-26 EP disclosed
WO-1998050366-A1 SUBSTITUTED 4-(3-ALKENYL-BENZOYL)-PYRAZOLES BASF AKTIENGESELLSCHAFT (DE) 1998-11-12 WO disclosed
WO-1998050337-A1 SUBSTITUTED 2-(3-ALKENYL-BENZOYL)-CYCLOHEXANE-1,3-DIONES BASF AKTIENGESELLSCHAFT (DE) 1998-11-12 WO disclosed
WO-1998042682-A1 NOVEL 1-AMINO-3 BENZYL URACILS BASF AKTIENGESELLSCHAFT (DE) 1998-10-01 WO disclosed
WO-1998042681-A1 NOVEL HERBICIDAL HYDROXIMIC ACID DERIVATIVES BASF AKTIENGESELLSCHAFT (DE) 1998-10-01 WO disclosed
WO-1998031681-A1 3-HETEROCYCLYL-SUBSTITUTED BENZOYL DERIVATIVES BASF AKTIENGESELLSCHAFT (DE) 1998-07-23 WO disclosed
EP-0835248-A1 1-AMINO-3-BENZYLURACILS BASF AKTIENGESELLSCHAFT (DE) 1998-04-15 EP disclosed
WO-1997035845-A1 SUBSTITUTED 1-METHYL-3-BENZYLURACILS BASF AKTIENGESELLSCHAFT (DE) 1997-10-02 WO disclosed
WO-1997001543-A1 1-AMINO-3-BENZYLURACILS BASF AKTIENGESELLSCHAFT (DE) 1997-01-16 WO disclosed
EP-0637298-A1 SUBSTITUTED CYCLOHEXENE-1,2-BICARBOXYLIC ACID DERIVATIVES AND RAW MATERIALS FOR PRODUCING THEM BASF Aktiengesellschaft (DE) 1995-02-08 EP disclosed
EP-0599906-A1 HERBICIDES CONTAINING 3-AMINOBENZO B]THIOPHENES AS AN ANTIDOTE. BASF AG (DE) 1994-06-08 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20040180891-A1 Pyrazole derivatives useful in the treatment of hyper-proliferative disorders MKI67, CDK4, FLT4 CHEK1 653/4885CHEK2 957/4885ALDH1A1 758/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.